Photoactivatable platinum(II) compounds: in search of novel anticancer drugs
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| 003 | CHVBK | ||
| 005 | 20210128100451.0 | ||
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| 008 | 210128e20151201xx s 000 0 eng | ||
| 024 | 7 | 0 | |a 10.1007/s00214-015-1724-5 |2 doi |
| 035 | |a (NATIONALLICENCE)springer-10.1007/s00214-015-1724-5 | ||
| 245 | 0 | 0 | |a Photoactivatable platinum(II) compounds: in search of novel anticancer drugs |h [Elektronische Daten] |c [José Cerón-Carrasco, Denis Jacquemin] |
| 520 | 3 | |a Photoactivated chemotherapy is a promising clinical alternative to focus the action of a drug in a tumoral region while sparing undamaged tissues. However, the phototherapeutic window is rather narrow (620-850nm), so that any novel photoactivatable drug needs to be excited within that range. In the present work, we asses the potential performances of several novel photoactivatable platinum-based anticancer drugs by means of calculations. Indeed, a panel of theoretical levels, including molecular dynamics simulations, density functional theory and its time-dependent counterpart, are used to determine drug-DNA adduct structures as well as to compute their optical properties. The reported data provide comprehensive insights into the design of improved platinum(II) drugs able to induce a direct reaction of the metallic center with DNA upon irradiation in the phototherapeutic window. | |
| 540 | |a Springer-Verlag Berlin Heidelberg, 2015 | ||
| 690 | 7 | |a Chemotherapy |2 nationallicence | |
| 690 | 7 | |a Metallodrugs |2 nationallicence | |
| 690 | 7 | |a Photoactivation |2 nationallicence | |
| 690 | 7 | |a DNA |2 nationallicence | |
| 690 | 7 | |a Quantum chemistry |2 nationallicence | |
| 690 | 7 | |a TD-DFT |2 nationallicence | |
| 700 | 1 | |a Cerón-Carrasco |D José |u Bioinformatics and High Performance Computing Research Group (BIO-HPC), Computer Science Department, Universidad Católica San Antonio de Murcia (UCAM), Campus de los Jerónimos, 30107, Murcia, Spain |4 aut | |
| 700 | 1 | |a Jacquemin |D Denis |u CEISAM UMR CNRS 6230, Université de Nantes, 2, rue de la Houssinière, BP 92208, 44322, Nantes Cedex 3, France |4 aut | |
| 773 | 0 | |t Theoretical Chemistry Accounts |d Springer Berlin Heidelberg |g 134/12(2015-12-01), 1-8 |x 1432-881X |q 134:12<1 |1 2015 |2 134 |o 214 | |
| 856 | 4 | 0 | |u https://doi.org/10.1007/s00214-015-1724-5 |q text/html |z Onlinezugriff via DOI |
| 898 | |a BK010053 |b XK010053 |c XK010000 | ||
| 900 | 7 | |a Metadata rights reserved |b Springer special CC-BY-NC licence |2 nationallicence | |
| 908 | |D 1 |a research-article |2 jats | ||
| 949 | |B NATIONALLICENCE |F NATIONALLICENCE |b NL-springer | ||
| 950 | |B NATIONALLICENCE |P 856 |E 40 |u https://doi.org/10.1007/s00214-015-1724-5 |q text/html |z Onlinezugriff via DOI | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Cerón-Carrasco |D José |u Bioinformatics and High Performance Computing Research Group (BIO-HPC), Computer Science Department, Universidad Católica San Antonio de Murcia (UCAM), Campus de los Jerónimos, 30107, Murcia, Spain |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Jacquemin |D Denis |u CEISAM UMR CNRS 6230, Université de Nantes, 2, rue de la Houssinière, BP 92208, 44322, Nantes Cedex 3, France |4 aut | ||
| 950 | |B NATIONALLICENCE |P 773 |E 0- |t Theoretical Chemistry Accounts |d Springer Berlin Heidelberg |g 134/12(2015-12-01), 1-8 |x 1432-881X |q 134:12<1 |1 2015 |2 134 |o 214 | ||